COMPUTATIONAL INVESTIGATION INTO THE KINETICS, MECHANISM AND THERMODYNAMICS PROPERTIES OF THE GAS-PHASE THERMAL DECOMPOSITION OF 1-PHENYL ETHYL ACETATE

  • Timothy Oluwaseun Esan
  • Babatunde Temitope Ogunyemi
  • Oluwatoba Emmanuel Oyeneyin
  • Oluwafemi Lawrence Adebayo
  • Isaiah Ajibade Adejoro
Keywords: Acetates, DFT, Olefins, Unimolecular reactions

References

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Adejoro I. A, Bamkole T. O., Semi-empirical quantum Mechanical, Molecular Orbital Method using MOPAC: Calculation of the Arrhenius parameters for the pyrolysis of some Alkyl Acetates J. Appl. Sci. 5 (2009) 1559 -1563.

Adejoro I. A., Esan T. O., Adeboye O. O. & Adeleke B .B. Quantum Mechanical Studies of the Kinetics, Mechanisms and Thermodynamics of the Gas-Phase Thermal

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Published
2023-01-01
How to Cite
EsanT. O., OgunyemiB. T., OyeneyinO. E., AdebayoO. L., & AdejoroI. A. (2023). COMPUTATIONAL INVESTIGATION INTO THE KINETICS, MECHANISM AND THERMODYNAMICS PROPERTIES OF THE GAS-PHASE THERMAL DECOMPOSITION OF 1-PHENYL ETHYL ACETATE. FUDMA JOURNAL OF SCIENCES, 6(6), 61 - 69. https://doi.org/10.33003/fjs-2022-0606-1142